# Data for constructing grids

# Where do these values come from? What are the units?
Bragg = [None,
     0.50, 2.00, 1.45, 1.05, 0.85, 0.70, 0.65, 0.60, 0.50,
     2.25, 1.80, 1.50, 1.25, 1.10, 1.00, 1.00, 1.00, 2.50,
     2.20, 1.80, 1.60, 1.40, 1.35, 1.40, 1.40, 1.40, 1.35,
     1.35, 1.35, 1.35, 1.30, 1.25, 1.15, 1.15, 1.15, 2.75,
     2.35, 2.00, 1.80, 1.55, 1.45, 1.45, 1.35, 1.30, 1.35,
     1.40, 1.60, 1.55, 1.55, 1.45, 1.45, 1.40, 1.40, 3.00,
     2.60, 2.15, 1.95, 1.85, 1.85, 1.85, 1.85, 1.85, 1.85,
     1.80, 1.75, 1.75, 1.75, 1.75, 1.75, 1.75, 1.75, 1.55,
     1.45, 1.35, 1.35, 1.30, 1.35, 1.35, 1.35, 1.50, 1.90,
     1.80, 1.60, 1.90, 1.65, 3.25, 2.80, 2.15, 1.95, 1.80,
     1.80, 1.75, 1.75, 1.75, 1.75, 1.75, 1.75, 1.75, 1.75,
     1.75, 1.75, 1.75, 1.75, 1.55, 1.55
     ] 

# Pople atomic radii (bohr) for the SG-1 grid
PopleRadii = [None,
              1.0000, 0.5882, 3.0769, 2.0513, 1.5385, 1.2308,
              1.0256, 0.8791, 0.7692, 0.6839, 4.0909, 3.1579,
              2.5714, 2.1687, 1.8750, 1.6514, 1.4754, 1.3333]

